Molecule

ID:116542

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-16-12-4-3-11(7-13(12)17-2)15-6-5-10(8-14)9-15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKey
YHKQABZJFXVKQG-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)c1ccc(c(c1)OC)OC
Isomeric Smiles
N1(c2cc(c(cc2)OC)OC)CC(CC1)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9943607
LogD (pH = 7.4)
-1.3007705
Log P
1.0347137
Molar Refractivity
68.913
Polarizability
26.507301
Polar Surface Area
47.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation